0 B13R1.386 COc1ccc(cc1OC)N=C=O AB10404 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.78 COc1cc(ccc1SC)C=O AB21299 [1,0,0,0,0,0|1,1,0]=3 2 B12R1.286 COc1cc(ccc1O)CC=O CB11185 [1,0,0,0,0,0|1,0,0]=2 3 B12R1.288 CNCc1ccc(c(c1)Cl)OC AB55520 [1,0,0,0,0,0|2,0,1]=4 4 B14R1.793 COc1ccc(cc1OC)CCCN AB08354 [0,1,0,0,0,0|0,0,2]=3 5 B14R1.1864 COc1ccc(cc1OC)C(=O)C=O AB29975 [0,1,0,0,0,0|1,0,1]=3 6 B14R1.10285 COc1ccc(c(c1OC)F)CC#N MB02733 [0,1,0,0,0,0|1,0,1]=3 7 B14R2.82 COc1cc2c(cc1OC)CNC2 MB05818 [0,0,0,1,0,0|1,0,1]=3 8 B11R1.37 CCc1cc(ccc1OC)O MB13572 [2,0,0,0,0,0|2,0,0]=4 9 B11R1.37 CCc1ccc(cc1OC)O MB23954 [2,0,0,0,0,0|2,0,0]=4 10 B11R1.37 CNc1cc(ccc1OC)O MB27280 [2,0,0,0,0,0|2,0,0]=4 11 B11R1.37 CNc1ccc(cc1OC)O MB33444 [2,0,0,0,0,0|2,0,0]=4 12 B11R1.37 COc1ccc(cc1SC)O MB31332 [2,0,0,0,0,0|1,1,0]=4 13 B11R1.279 CCc1ccc(c(c1)O)CC MB23814 [2,0,0,0,0,0|1,0,1]=4 14 B11R1.279 CCc1ccc(c(c1)O)NC MB23854 [2,0,0,0,0,0|1,0,1]=4 15 B11R1.279 CCc1ccc(c(c1)O)OC MB23985 [2,0,0,0,0,0|0,0,1]=3 16 B11R1.279 CCc1ccc(c(c1)O)SC MB23987 [2,0,0,0,0,0|0,1,1]=4 17 B11R1.279 CCc1ccc(cc1O)C=O MB23812 [2,0,0,0,0,0|2,0,0]=4 18 B11R1.279 CCc1ccc(cc1O)CN MB23838 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.279 CNc1ccc(cc1O)C=O MB01978 [2,0,0,0,0,0|2,0,0]=4 20 B11R1.279 CNc1ccc(cc1O)CN MB30036 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.279 COc1ccc(c(c1)O)OC MB00643 [2,0,0,0,0,0|1,0,1]=4 22 B11R1.279 COc1ccc(cc1Cl)CN CB10485 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.279 COc1ccc(cc1O)C#N MB02393 [2,0,0,0,0,0|1,0,1]=4 24 B11R1.279 COc1ccc(cc1O)SC MB37214 [2,0,0,0,0,0|1,0,1]=4 25 B11R1.279 CSc1ccc(cc1O)C=O MB32965 [2,0,0,0,0,0|1,1,0]=4 26 B11R1.279 CSc1ccc(cc1O)CN MB29248 [2,0,0,0,0,0|1,1,0]=4 27 B11R1.279 Cc1cc(cnc1OC)C=O AB64858 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.280 CCc1cc(ccc1O)C=O MB23625 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.280 CCc1cc(ccc1O)CN MB23654 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.280 CCc1ccc(c(c1)CC)O MB23888 [2,0,0,0,0,0|1,0,1]=4 31 B11R1.280 CCc1ccc(c(c1)NC)O MB23902 [2,0,0,0,0,0|1,0,1]=4 32 B11R1.280 CCc1ccc(c(c1)SC)O MB23909 [2,0,0,0,0,0|0,1,1]=4 33 B11R1.280 CNc1cc(ccc1O)C=O MB32371 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.280 CNc1cc(ccc1O)CN MB28730 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.280 CNc1ccc(c(c1)OC)O MB25417 [2,0,0,0,0,0|1,0,1]=4 36 B11R1.280 COc1cc(ccc1Cl)C=O AB42981 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.280 COc1cc(ccc1N)C=O AB54813 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.280 COc1cc(ccc1N)CO AB44207 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.280 COc1cc(ccc1O)SC MB01847 [2,0,0,0,0,0|1,0,1]=4 40 B11R1.280 COc1ccc(c(c1)OC)O MB00503 [2,0,0,0,0,0|1,0,1]=4 41 B11R1.280 CSc1cc(ccc1O)C=O MB25805 [2,0,0,0,0,0|1,1,0]=4 42 B11R1.189 COc1cccc(c1)CC#C AB61395 [2,0,0,0,0,0|0,0,2]=4 43 B11R1.189 COc1cccc(c1)CC=O AB11807 [2,0,0,0,0,0|1,0,0]=3 44 B11R1.189 COc1cccc(c1)CNN PB20154 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.189 COc1cccc(c1)\C=C\Br AB06116 [2,0,0,0,0,0|1,0,1]=4 46 B11R1.83 COc1ccc(cc1)CC#C AB61379 [2,0,0,0,0,0|0,0,2]=4 47 B11R1.83 COc1ccc(cc1)CC=O AB11810 [2,0,0,0,0,0|1,0,0]=3 48 B11R1.83 COc1ccc(cc1)CCO AB00284 [2,0,0,0,0,0|1,0,1]=4 49 B11R1.83 COc1ccc(cc1)CNN PB19937 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.83 COc1ccc(cc1)\C=C\Br AB06149 [2,0,0,0,0,0|1,0,1]=4 51 B13R1.355 CCOc1cc(ccc1OC)CO CB10086 [1,1,0,0,0,0|1,0,0]=3 52 B13R1.2200 COc1cc(c(cc1OC)Br)OC CB10225 [1,1,0,0,0,0|1,0,1]=4 53 B13R1.2200 COc1cc(c(cc1OC)N)C#N MB00492 [1,1,0,0,0,0|1,0,1]=4 54 B13R1.2200 Cc1cc(c(cc1OC)OC)OC AB20919 [1,1,0,0,0,0|1,0,1]=4 55 B13R1.2422 COc1ccc(c(c1OC)F)C=O MB02736 [1,1,0,0,0,0|1,0,0]=3 56 B13R1.3091 B(c1ccc(c(c1)OC)OC)(O)O AB08049 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.3091 COc1ccc(cc1OC)C(=N)N AB09711 [1,1,0,0,0,0|1,0,0]=3 58 B13R1.35 COc1ccc(cc1O)NC(=S)N AB53235 [1,1,0,0,0,0|2,0,0]=4 59 B15R1.1195 CNCCCc1ccc(c(c1)OC)OC AB30625 [0,2,0,0,0,0|0,0,2]=4 60 B15R1.3769 COc1ccc(cc1OC)CC(=O)OC MB00268 [0,2,0,0,0,0|0,0,1]=3 61 B15R1.12854 COc1ccc(cc1OC)CCC(=O)O AB00263 [0,2,0,0,0,0|0,0,1]=3 62 B15R1.12853 COc1ccc(cc1OC)C(C(=O)O)N AB11982 [0,2,0,0,0,0|1,0,0]=3 63 B15R1.12853 COc1ccc(cc1OC)[C@@H](C(=O)O)N AB33157 [0,2,0,0,0,0|1,0,0]=3 64 B15R1.12853 COc1ccc(cc1OC)[C@H](C(=O)O)N AB33156 [0,2,0,0,0,0|1,0,0]=3 65 B15R1.3768 COc1ccc(cc1OC)CS(=O)(=O)Cl MB09813 [0,2,0,0,0,0|2,0,0]=4 66 B15R1.27356 C\C=C\c1cc(c(cc1OC)OC)OC AB02604 [0,2,0,0,0,0|0,0,2]=4 67 B13R2.57 c1c(cnc2c1OCCO2)C=O AB65653 [1,0,0,1,0,0|2,0,0]=4 68 B13R2.57 c1c(ncc2c1OCCO2)C=O MB08156 [1,0,0,1,0,0|2,0,0]=4 69 B13R2.57 c1cc2c(cc1NN)OCCO2 AB12012 [1,0,0,1,0,0|2,0,0]=4 70 B13R2.449 c1cc2c(cc1\C=C\Br)OCO2 AB49370 [1,0,0,1,0,0|1,0,1]=4 71 B15R2.117 COc1cc2c(cc1OC)CNCC2 MB01442 [0,1,0,1,0,0|0,0,2]=4 72 B15R2.4299 COc1ccc(cc1OC)[C@@H]2C[C@H]2N MB69377 [0,1,0,1,0,0|0,0,2]=4 73 B15R2.20737 COc1cc2c(cc1OC)C(C2)C#N CB10556 [0,1,0,1,0,0|0,0,2]=4 74 B15R2.21574 COc1cc2c(cc1OC)C(CC2)N AB16246 [0,1,0,1,0,0|0,0,2]=4 75 B15R2.21574 COc1cc2c(cc1OC)[C@@H](CC2)N AB29139 [0,1,0,1,0,0|0,0,2]=4 76 B15R2.21574 COc1cc2c(cc1OC)[C@H](CC2)N AB29135 [0,1,0,1,0,0|0,0,2]=4 77 B15R2.31888 COc1ccc(cc1OC)OC2CC2 MB55671 [0,1,0,1,0,0|0,0,2]=4 78 B15R2.22325 COc1ccc2c(c1OC)CCC2N AB38402 [0,1,0,1,0,0|0,0,2]=4 79 B15R2.22325 COc1ccc2c(c1OC)CC[C@@H]2N AB38407 [0,1,0,1,0,0|0,0,2]=4 80 B15R2.22325 COc1ccc2c(c1OC)CC[C@H]2N AB38406 [0,1,0,1,0,0|0,0,2]=4 81 B15R2.4367 COc1cc(cc2c1OCO2)CCN AB21006 [0,1,0,1,0,0|1,0,1]=4 82 B15R2.2035 COc1cc2c(cc1OC)CC(C2)N MB05912 [0,1,0,1,0,0|0,0,2]=4 83 B15R2.2035 COc1cc2c(cc1OC)sc(n2)Cl MB04277 [0,1,0,1,0,0|2,0,0]=4 84 B15R2.2035 COc1cc2c(cc1OC)sc(n2)N MB01964 [0,1,0,1,0,0|2,0,0]=4 85 B13R1.358 COc1cc(cc(c1)OC)CCN AB02396 [0,0,0,0,1,1|1,0,1]=4 86 B13R1.358 COc1cc(cc(n1)OC)CCN AB82383 [0,0,0,0,1,1|1,0,1]=4